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Isoechinulin c

  • Formula: C24H27N3O3

  • Molecular weight: 405.50

  • Smiles: CC1(C(O1)CC2=CC3=C(C=C2)NC(=C3C=C4C(=O)NC(=C)C(=O)N4)C(C)(C)C=C)C

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Isoechinulin c

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Isoechinulin c

  • First synonym: Isoechinulin c

  • Synonyms: Isoechinulin C,CHEMBL3889618,60422-89-1

Identifiers / External links

Structure

  • Smiles: CC1(C(O1)CC2=CC3=C(C=C2)NC(=C3C=C4C(=O)NC(=C)C(=O)N4)C(C)(C)C=C)C

  • Isomeric smiles: CC1(C(O1)CC2=CC3=C(C=C2)NC(=C3/C=C\4/C(=O)NC(=C)C(=O)N4)C(C)(C)C=C)C

  • Inchi: InChI=1S/C24H27N3O3/c1-7-23(3,4)20-16(12-18-22(29)25-13(2)21(28)27-18)15-10-14(8-9-17(15)26-20)11-19-24(5,6)30-19/h7-10,12,19,26H,1-2,11H2,3-6H3,(H,25,29)(H,27,28)/b18-12-

  • Inchikey: XMXFNKUBZDSBML-PDGQHHTCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H27N3O3

  • Molecular weight: 405.50

  • Monoisotopic mass: 405.20524173

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